2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C53H57N4OPt-3 — CID 168761361

About 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 168761361) has the molecular formula C53H57N4OPt-3 and a molecular weight of 961.14 g/mol. Its IUPAC name is 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168761361
• Molecular Formula: C53H57N4OPt-3
• Molecular Weight: 961.14 g/mol
• Exact Mass: 960.42
• IUPAC Name: 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(CN2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c(C(C)(C)C)cc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C53H57N4O.Pt/c1-50(2,3)36-25-26-54-49(30-36)57-44-18-14-13-17-41(44)42-23-22-40(32-47(42)57)58-48-31-39(21-24-43(48)53(10,11)12)56-34-55(45-19-15-16-20-46(45)56)33-35-27-37(51(4,5)6)29-38(28-35)52(7,8)9;/h13-30,34H,33H2,1-12H3;/q-3
• InChIKey: ARTKAAGLMDOENZ-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.14
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168761361) is 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(CN2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c(C(C)(C)C)cc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is ARTKAAGLMDOENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H57N4O.Pt/c1-50(2,3)36-25-26-54-49(30-36)57-44-18-14-13-17-41(44)42-23-22-40(32-47(42)57)58-48-31-39(21-24-43(48)53(10,11)12)56-34-55(45-19-15-16-20-46(45)56)33-35-27-37(51(4,5)6)29-38(28-35)52(7,8)9;/h13-30,34H,33H2,1-12H3;/q-3;.

What are the key properties of 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 961.14 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-tert-butyl-5-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168761361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).